0 B21R3.515766 NC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z33546381 [0,0,0,0,0,0|1,0,0]=1 1 B21R3.515766 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z56782585 [0,0,0,0,0,0|0,0,0]=0 2 B21R3.515766 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=NC=C3 Z56792374 [0,0,0,0,0,0|1,0,0]=1 3 B21R3.515766 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CN=CC=C3 Z56780395 [0,0,0,0,0,0|1,0,0]=1 4 B21R3.515766 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=NC=CC=C3 Z56919760 [0,0,0,0,0,0|1,0,0]=1 5 B22R3.251367 CC1=C(C2=C(C=CC=C2)N=C1C3=CC=CC=C3)C(=O)O Z56813530 [0,1,0,0,0,0|0,0,0]=1 6 B22R3.257605 O=C(O)C1=C2C=CC(=CC2=NC(=C1)C3=CC=CC=C3)Br Z228588850 [0,1,0,0,0,0|0,0,0]=1 7 B22R3.257605 O=C(O)C1=C2C=CC(=CC2=NC(=C1)C3=CC=CC=C3)Cl Z1136697556 [0,1,0,0,0,0|0,0,0]=1 8 B22R3.257605 O=C(O)C1=C2C=CC(=CC2=NC(=C1)C3=CC=CC=C3)F Z228588730 [0,1,0,0,0,0|0,0,0]=1 9 B22R3.383753 O=C(O)C1=NN(C(=O)C2=C1C=CC=C2)C3=CC=CC=C3 Z56855127 [0,1,0,0,0,0|3,0,0]=4 10 B22R3.608640 CC1=C2N=C(C=C(C2=CC=C1)C(=O)O)C3=CC=NC=C3 Z223648258 [0,1,0,0,0,0|1,0,0]=2 11 B22R3.608640 CC1=C2N=C(C=C(C2=CC=C1)C(=O)O)C3=CN=CC=C3 Z363999948 [0,1,0,0,0,0|1,0,0]=2 12 B22R3.608640 O=C(O)C1=C2C=CC=C(C2=NC(=C1)C3=CC=CC=C3)Cl Z57127624 [0,1,0,0,0,0|0,0,0]=1 13 B22R3.608640 O=C(O)C1=C2C=CC=C(C2=NC(=C1)C3=CN=CC=C3)Br Z228588646 [0,1,0,0,0,0|1,0,0]=2 14 B22R3.635700 CC1=CC2=C(C=C1)N=C(C=C2C(=O)N)C3=CC=CC=C3 Z33545329 [0,1,0,0,0,0|1,0,0]=2 15 B22R3.635700 CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3 Z56921158 [0,1,0,0,0,0|0,0,0]=1 16 B22R3.635700 CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=NC=C3 Z223648172 [0,1,0,0,0,0|1,0,0]=2 17 B22R3.635700 CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CN=CC=C3 Z228589410 [0,1,0,0,0,0|1,0,0]=2 18 B22R3.635700 NC(=O)C1=C2C=C(C=CC2=NC(=C1)C3=CC=NC=C3)Br Z809768680 [0,1,0,0,0,0|2,0,0]=3 19 B22R3.635700 O=C(O)C1=C2C=C(C=CC2=NC(=C1)C3=CC=CC=C3)Br Z56928650 [0,1,0,0,0,0|0,0,0]=1 20 B22R3.635700 O=C(O)C1=C2C=C(C=CC2=NC(=C1)C3=CC=NC=C3)Br Z239680080 [0,1,0,0,0,0|1,0,0]=2 21 B22R3.1055891 CNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z30272261 [0,1,0,0,0,0|1,0,0]=2 22 B22R3.1055891 CNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=NC=C3 Z30272361 [0,1,0,0,0,0|2,0,0]=3 23 B22R3.1055891 CNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=NC=CC=C3 Z30272399 [0,1,0,0,0,0|2,0,0]=3 24 B22R3.1055891 COC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z19676381 [0,1,0,0,0,0|0,0,0]=1 25 B22R3.1055891 CON(C)C1=C2C=CC=CC2=NC(=N1)C3=CC=CC=C3 Z31041592 [0,1,0,0,0,0|3,0,0]=4 26 B22R3.1055891 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z56769622 [0,1,0,0,0,0|1,0,0]=2 27 B22R3.1055891 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=NC=C3 Z56823028 [0,1,0,0,0,0|2,0,0]=3 28 B22R3.1055891 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CN=CC=C3 Z56792392 [0,1,0,0,0,0|2,0,0]=3 29 B22R3.1055891 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=NC=CC=C3 Z56792388 [0,1,0,0,0,0|2,0,0]=3 30 B22R3.5447551 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC(=CC=C3)Br Z56813531 [0,1,0,0,0,0|0,0,0]=1 31 B22R3.5681328 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=C(C=CC=C3)Cl Z56813269 [0,1,0,0,0,0|0,0,0]=1 32 B22R3.10328954 O=C(O)C1=C2C(=CC=CC2=NC(=C1)C3=CC=CC=C3)Br Z228589492 [0,1,0,0,0,0|0,0,0]=1 33 B22R3.15242399 CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)O Z56792505 [0,1,0,0,0,0|0,0,0]=1 34 B22R3.15242399 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)Br Z56813265 [0,1,0,0,0,0|0,0,0]=1 35 B22R3.15242399 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)Cl Z56778503 [0,1,0,0,0,0|0,0,0]=1 36 B22R3.15242399 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)F Z56770919 [0,1,0,0,0,0|0,0,0]=1 37 B22R3.15242399 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)O Z57033997 [0,1,0,0,0,0|0,0,0]=1 38 B20R2.10543 O=C(NC(C(=O)O)C1=CC=CC=C1)C2=CC=CC=C2 Z85968888 [0,0,1,0,0,0|2,0,1]=4 39 B20R2.10543 O=C(N[C@@H](C(=O)O)C1=CC=CC=C1)C2=CC=CC=C2 Z756461928 [0,0,1,0,0,0|2,0,1]=4 40 B20R2.17804 O=C(O)CC1=C(C=CC=C1)NC(=O)C2=CC=CC=C2 Z992493894 [0,0,1,0,0,0|1,0,2]=4 41 B20R3.15564 O=C(O)C1=C(N=C2N1C=CC=N2)C3=CC=CC=C3 Z1493055818 [0,0,0,0,1,0|2,0,0]=3 42 B20R3.15564 O=C(O)C1=C2C=CC=CN2N=C1C3=CC=CC=C3 Z3241275926 [0,0,0,0,1,0|1,0,0]=2 43 B20R3.328140 NC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CO3 Z33546944 [0,0,0,0,1,0|2,0,0]=3 44 B20R3.328140 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CO3 Z56792859 [0,0,0,0,1,0|1,0,0]=2 45 B20R3.328140 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CS3 Z56792402 [0,0,0,0,1,0|1,0,0]=2 46 B20R3.328141 O=C(O)C1=CC(=NC2=CC=NN12)C3=CC=CC=C3 Z1157836155 [0,0,0,0,1,0|2,0,0]=3 47 B19R3.9171 CC1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z48951265 [2,0,0,0,0,0|0,0,1]=3 48 B19R3.9171 ClC1=C2C=CC=CC2=NC(=N1)C3=CC=CC=C3 Z57043476 [2,0,0,0,0,0|2,0,0]=4 49 B19R3.9171 NC1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z56792391 [2,0,0,0,0,0|1,0,0]=3 50 B19R3.9171 O=C1C=C(NC2=C1C=CC=C2)C3=CC=CC=C3 Z445211730 [2,0,0,0,0,0|0,0,1]=3 51 B19R3.9171 O=C1NC(=NC2=C1C=CC=C2)C3=CC=CC=C3 Z57042021 [2,0,0,0,0,0|1,0,0]=3 52 B19R3.9171 O=C1NC(=NC2=C1C=CC=C2)C3=CC=NC=C3 Z234904505 [2,0,0,0,0,0|2,0,0]=4 53 B19R3.9171 O=C1NC(=NC2=C1C=CC=C2)C3=NC=CC=C3 Z666587004 [2,0,0,0,0,0|2,0,0]=4 54 B19R3.9171 O=C1OC(=NC2=C1C=CC=C2)C3=CC=CC=C3 Z57177801 [2,0,0,0,0,0|1,0,0]=3 55 B19R3.9171 SC1=C2C=CC=CC2=NC(=N1)C3=CC=CC=C3 Z57156779 [2,0,0,0,0,0|1,1,0]=4 56 B21R3.31272 O=C(CCl)C1=C(NC2=C1C=CC=C2)C3=CC=CC=C3 Z57014416 [0,1,0,0,1,0|1,0,1]=4 57 B21R3.153868 O=C(O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=CC=C3 Z275118098 [0,1,0,0,1,0|1,0,0]=3 58 B21R3.249337 CN1C2=C(C=CC=C2)C(=C1C3=CC=CC=C3)C(=O)O Z147652320 [0,1,0,0,1,0|0,0,1]=3 59 B21R3.163243 O=C(O)C1=C2C=CC(=CC2=NC(=C1)C3=CC=CO3)F Z239680550 [0,1,0,0,1,0|1,0,0]=3 60 B21R3.416816 CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CO3 Z228589062 [0,1,0,0,1,0|1,0,0]=3 61 B21R3.416816 CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CS3 Z228589376 [0,1,0,0,1,0|1,0,0]=3 62 B21R3.675015 CNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CO3 Z30272394 [0,1,0,0,1,0|2,0,0]=4 63 B21R3.675015 COC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CO3 Z18798765 [0,1,0,0,1,0|1,0,0]=3 64 B21R3.675015 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CO3 Z56887651 [0,1,0,0,1,0|2,0,0]=4 65 B21R3.675015 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CS3 Z56790582 [0,1,0,0,1,0|2,0,0]=4 66 B21R3.3741645 CC1=CC=C(O1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)O Z56904576 [0,1,0,0,1,0|1,0,0]=3 67 B21R3.3741645 CN1C=C(C=N1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)O Z667967730 [0,1,0,0,1,0|2,0,0]=4 68 B21R3.3741645 NC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(S3)Cl Z33546198 [0,1,0,0,1,0|2,0,0]=4 69 B21R3.3741645 O=C(O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(S3)Cl Z56827509 [0,1,0,0,1,0|1,0,0]=3 70 B21R3.4035429 CC1=NC=CN1C2=NC3=C(C=CC=C3)C(=C2)C(=O)O Z382817344 [0,1,0,0,1,0|2,0,0]=4 71 B21R3.4675058 CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)O Z55872453 [0,1,0,0,1,0|2,0,0]=4 72 B21R3.4675058 O=C(O)C1=C2C(=O)NNC2=NC(=C1)C3=CC=CC=C3 Z871773922 [0,1,0,0,1,0|2,0,0]=4 73 B23R3.8257096 NC(=O)C1=C2C=CC=CC2=NC(=C1)SC3=C(C=CC=C3)F Z373000904 [0,1,0,0,0,1|1,0,0]=3 74 B23R3.135816 CC1=C(C2=C(C=CC=C2)N=C1C3=CC(=CC=C3)Cl)C(=O)O Z56821860 [0,2,0,0,0,0|0,0,0]=2 75 B23R3.721710 CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=CC=C3)C(=O)O Z285570976 [0,2,0,0,0,0|0,0,0]=2 76 B23R3.1302486 CC1=CC=C(C=C1)C2=C(C(=C3C=CC=CC3=N2)C(=O)O)C Z57127957 [0,2,0,0,0,0|0,0,0]=2 77 B23R3.3624834 CC1=C(C=C2C(=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3)C Z285918112 [0,2,0,0,0,0|0,0,0]=2 78 B23R3.10861631 CC1=CC2=C(C(=C1)C)C(=CC(=N2)C3=CC=CC=C3)C(=O)O Z228588930 [0,2,0,0,0,0|0,0,0]=2 79 B23R3.10861631 CC1=CC2=C(C(=C1)C)C(=CC(=N2)C3=CN=CC=C3)C(=O)O Z235541378 [0,2,0,0,0,0|1,0,0]=3 80 B23R3.17054121 O=C(O)C1=C2C=CC(=C(C2=NC(=C1)C3=CC=CC=C3)Cl)Cl Z1136698692 [0,2,0,0,0,0|0,0,0]=2 81 B23R3.15743020 O=C(O)C1=C2C=C(C=C(C2=NC(=C1)C3=CC=CC=C3)Br)Br Z56928656 [0,2,0,0,0,0|0,0,0]=2 82 B23R3.1580966 COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3 Z56887640 [0,2,0,0,0,0|0,0,0]=2 83 B23R3.190292764 CNC(=O)C1=C2C=C(C=CC2=NC(=C1)C3=CC=CC=C3)C Z30271194 [0,2,0,0,0,0|1,0,0]=3 84 B23R3.1088350 CCNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CN=CC=C3 Z30281303 [0,2,0,0,0,0|2,0,0]=4 85 B23R3.1088350 CCNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=NC=CC=C3 Z30281353 [0,2,0,0,0,0|2,0,0]=4 86 B23R3.1088350 CONC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=CC=C3 Z188880078 [0,2,0,0,0,0|0,0,0]=2 87 B23R3.1088350 CONC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=NC=C3 Z225410112 [0,2,0,0,0,0|1,0,0]=3 88 B23R3.1088350 CONC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CN=CC=C3 Z193289786 [0,2,0,0,0,0|1,0,0]=3 89 B23R3.1088350 CONC(=O)C1=C2C=CC=CC2=NC(=C1)C3=NC=CC=C3 Z193289892 [0,2,0,0,0,0|1,0,0]=3 90 B23R3.1377255 CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)NN Z56822827 [0,2,0,0,0,0|1,0,0]=3 91 B23R3.1377255 CNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)Br Z30272495 [0,2,0,0,0,0|1,0,0]=3 92 B23R3.1377255 CNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)Cl Z30272307 [0,2,0,0,0,0|1,0,0]=3 93 B23R3.1377255 CNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)F Z30272373 [0,2,0,0,0,0|1,0,0]=3 94 B23R3.1377255 COC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)C Z18795643 [0,2,0,0,0,0|0,0,0]=2 95 B23R3.1377255 COC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)F Z18727273 [0,2,0,0,0,0|0,0,0]=2 96 B23R3.1377255 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)Cl Z56922133 [0,2,0,0,0,0|1,0,0]=3 97 B23R3.1377255 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=CC=C(C=C3)F Z56823027 [0,2,0,0,0,0|1,0,0]=3 98 B23R3.25277521 COC(=O)C1=C2C=CC=CC2=NC(=C1)C3=C(C=CC=C3)Cl Z18703331 [0,2,0,0,0,0|0,0,0]=2 99 B23R3.25277521 NNC(=O)C1=C2C=CC=CC2=NC(=C1)C3=C(C=CC=C3)Cl Z56843597 [0,2,0,0,0,0|1,0,0]=3 100 B23R3.76608979 CC1=CC(=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)O)C Z56923291 [0,2,0,0,0,0|0,0,0]=2 101 B23R3.227052 COC1=CC=C(C=C1)C2=NC3=C(C=CC=C3)C(=C2)C(=O)O Z56174526 [0,2,0,0,0,0|0,0,0]=2 102 B21R3.24384 O=C(O)CN1C(=NC2=C1C=CC=C2)C3=CC=CC=C3 Z274469970 [0,0,1,1,0,0|1,0,1]=4 103 B21R3.7835422 O=C(O)C1=CN(C2=C1C=CC=C2)CC3=CC=CC=C3 Z57912649 [0,0,1,1,0,0|2,0,0]=4 104 B21R4.24082 O=C1NC2=C(C=CC=C2)C3=NC4=C(N13)C=CC=C4 Z3016613433 [0,0,0,1,1,0|2,0,0]=4 105 B19R2.8831 O=C(O)C1=C(C=CC=C1)NC(=O)C2=CC=CC=C2 Z57128272 [0,0,1,0,1,0|1,0,1]=4 106 B19R3.2293 O=CC1=C(C=C2N1C=CC=C2)C3=CC=CC=C3 Z56811519 [1,0,0,0,1,0|2,0,0]=4 107 B19R3.2293 O=CC1=C(N=C2N1C=CC=C2)C3=CC=CC=C3 Z56807549 [1,0,0,0,1,0|1,0,0]=3 108 B19R3.2293 O=CC1=C(N=C2N1C=CC=N2)C3=CC=CC=C3 Z57906874 [1,0,0,0,1,0|2,0,0]=4 109 B19R3.2293 O=CC1=C(NC2=C1C=CC=C2)C3=CC=CC=C3 Z56860307 [1,0,0,0,1,0|0,0,1]=3 110 B19R3.2293 O=CC1=C(NC2=C1C=CC=C2)C3=CN=CC=C3 Z3214214407 [1,0,0,0,1,0|1,0,1]=4 111 B19R3.2293 O=CC1=C(NC2=C1C=CC=C2)C3=NC=CC=C3 Z3214214406 [1,0,0,0,1,0|1,0,1]=4 112 B19R3.2293 O=CC1=C2C=CC=CN2N=C1C3=CC=CC=C3 Z3846782236 [1,0,0,0,1,0|1,0,0]=3 113 B19R3.2293 O=CC1=C2N=CC=CN2N=C1C3=CC=CC=C3 Z3241728409 [1,0,0,0,1,0|2,0,0]=4 114 B19R3.2293 OCC1=C(N=C2N1C=CC=C2)C3=CC=CC=C3 Z235449206 [1,0,0,0,1,0|1,0,1]=4 115 B19R3.49256 O=CC1=C2C=CC=CN2C(=N1)C3=CC=CC=C3 Z56850339 [1,0,0,0,1,0|2,0,0]=4 116 B23R3.19334013 O=C(O)C1=C2C=CC=CC2=NC(=C1)/C=C/C3=CC=CC=C3 Z46532857 [0,0,0,0,0,2|0,0,0]=2 117 B23R3.19334013 O=C(O)C1=C2C=CC=CC2=NC(=C1)NCC3=CC=CC=C3 Z382818316 [0,0,0,0,0,2|0,0,0]=2 118 B23R3.916450 O=C(O)CNC1=C2C=CC=CC2=NC(=N1)C3=CC=CC=C3 Z94802805 [0,0,0,0,0,2|1,0,0]=3 119 B23R3.916450 O=C(O)CSC1=C2C=CC=CC2=NC(=N1)C3=CC=CC=C3 Z31205842 [0,0,0,0,0,2|1,0,0]=3